Rb[SCN]的合成、晶体学表征及结构关系

IF 0.9 4区材料科学 Q3 CRYSTALLOGRAPHY

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2022-03-01 DOI:10.1515/zkri-2022-0015

Alena Shlyaykher, T. Pippinger, T. Schleid, O. Reckeweg, F. Tambornino

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引用次数: 1

摘要

摘要采用三种不同的方法合成了无色硫氰酸铷。DCS-TGA测量允许提取相变，熔化和分解温度。单晶x射线衍射显示Rb[SCN]以低温LT-K[SCN]晶体结构类型(Pbcm, oP16)结晶。在其相变温度(432.1 K)以上，标题化合物结晶为高温HT-K[SCN]晶体结构类型(I4/mcm, tI28)，具有首尾有序的硫氰酸盐阴离子。这两种修饰都是相互关联的，并且与LT/HT-Cs[SCN]结构类型有关，并且已经使用Bärnighausen形式主义详细研究了它们之间的关系。通过温度相关的PXRD验证了相纯度和体相转变。

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Syntheses, crystallographic characterization, and structural relations of Rb[SCN]

Abstract Colorless rubidium thiocyanate was synthesized by three different approaches. DCS-TGA measurements allowed for extraction of phase transition, melting, and decomposition temperatures. Single-crystal X-ray diffraction showed Rb[SCN] to crystallize in the low-temperature LT-K[SCN] crystal structure type (Pbcm, oP16). Above its phase-transition temperature (432.1 K) the title compound crystallizes with the high-temperature HT-K[SCN] crystal structure type (I4/mcm, tI28) with head-to-tail disordered thiocyanate anions. Both modifications are related to one another and to the LT/HT-Cs[SCN] structure types, and the relation has been studied in detail employing the Bärnighausen formalism. Phase purity and bulk phase transition were confirmed by temperature-dependent PXRD.

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来源期刊

Zeitschrift Fur Kristallographie-Crystalline Materials CRYSTALLOGRAPHY-

CiteScore

2.00

自引率

16.70%

发文量

期刊介绍： Zeitschrift für Kristallographie – Crystalline Materials was founded in 1877 by Paul von Groth and is today one of the world’s oldest scientific journals. It offers a place for researchers to present results of their theoretical experimental crystallographic studies. The journal presents significant results on structures and on properties of organic/inorganic substances with crystalline character, periodically ordered, modulated or quasicrystalline on static and dynamic phenomena applying the various methods of diffraction, spectroscopy and microscopy.